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ENAMINE-ZINC04218819

 MMsINC code: MMs01535860
Type: Neutral
Formula: C8H10N2O6S2
SMILES:   S(=O)(=O)(NCC(O)=O)c1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C8H10N2O6S2/c9-17(13,14)6-1-3-7(4-2-6)18(15,16)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)(H2,9,13,14)

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Potential Energy
Epot(MMFF94)=-10.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.308 g/mol  logS: -1.44531  SlogP: -1.3031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937866  Sterimol/B1: 2.92768  Sterimol/B2: 3.91594  Sterimol/B3: 4.9517
  Sterimol/B4: 5.02502  Sterimol/L: 14.1659 
 
 Surface and Volume Properties
  Accessible surface: 455.185  Positive charged surface: 213.737  Negative charged surface: 241.448  Volume: 214.125
  Hydrophobic surface: 136.108  Hydrophilic surface: 319.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01535861
ENAMINE-ZINC04218819